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Ligand · JYS

JYS · 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione

JYS, 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione (C21 H17 Br F N3 O3, 458.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
JYS
Formula
C21 H17 Br F N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

JYS in 4 structures; the first of them:

  • 6MU8 · Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule… · JYS G637 · binds ILE108, ILE109, TRP112, ASP113, LEU116, VAL255, THR257, GLU370 and 12 more
  • 6MUG · Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule… · JYS G633 · binds ILE108, ILE109, TRP112, ASP113, VAL255, SER375, PHE382, TYR384 and 7 more
  • 6MU8 · Crystal structure of HIV-1 BG505 SOSIP.664 prefusion env trimer bound to small molecule… · JYS G637 · binds ILE109, TRP112, ASP113, LEU116, VAL255, GLU370, SER375, PHE376 and 10 more
  • 6MUG · Crystal structure of HIV-1 B41 SOSIP.664 prefusion env trimer bound to small molecule… · JYS G633 · binds ILE108, ILE109, TRP112, ASP113, VAL255, SER375, PHE382, TYR384 and 7 more

Residues it binds most

ILE 4, MET 4, TRP 4, PHE 4, ALA 4, ASN 4, ASP 4, SER 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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